Vitas-M small molecule compound
2-(3-chloro-5-ethoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK000582
SMILES C=CCc1ccc(c(c1)OC)OCCOc1c(Cl)cc(cc1OCC)c1nc2sc3c(c2c(=O)[nH]1)CCCC3
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H31ClN2O5S MW 567.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClN2O5S/c1-4-8-18-11-12-22(23(15-18)35-3)37-13-14-38-27-21(31)16-19(17-24(27)36-5-2)28-32-29(34)26-20-9-6-7-10-25(20)39-30(26)33-28/h4,11-12,15-17H,1,5-10,13-14H2,2-3H3,(H,32,33,34)InChIKey
ZZXUZVGYRKDITG-UHFFFAOYSA-NSynonyms
2(3chloro5ethoxy4(2(2methoxy4(prop2en1yl)phenoxy)ethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro5ethoxy4(2(2methoxy4prop2enylphenoxy)ethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
C=CCc1ccc(c(c1)OC)OCCOc1c(Cl)cc(cc1OCC)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
CCOC1=C(C(=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)Cl)OCCOC5=C(C=C(C=C5)CC=C)OC
InChI=1SC30H31ClN2O5Sc14818111222(23(1518)353)371314382721(31)1619(1724(27)3652)283229(34)26209671025(20)3930(26)3328h411121517H15101314H223H3(H323334)
MFCD03184209
STK000582
ZINC000100272788
ZINC100272788
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